GL1X · GenesisL1 explorer

Ligand · 0BX

0BX · 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid

0BX, 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid (C17 H14 N4 O2, 306.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
0BX
Formula
C17 H14 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

0BX in 4 structures; the first of them:

  • 3UNJ · CDK2 in complex with inhibitor YL1-038-31 · 0BX A299 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 9 more
  • 3UO5 · Aurora A in complex with YL1-038-31 · 0BX A501 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LEU194, LEU210, GLU211 and 8 more
  • 3UNJ · CDK2 in complex with inhibitor YL1-038-31 · 0BX A299 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 9 more
  • 3UO5 · Aurora a in complex with YL1-038-31 · 0BX A501 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LEU194, LEU210, GLU211 and 8 more

Residues it binds most

LEU 4, ALA 4, GLU 4, VAL 4, ARG 2, ASP 2, GLN 2, GLY 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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